Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 4/20 | 0.54 |
| ▸ | RAB9A | P51151 | 4/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.54 |
| ▸ | LMNA | P02545 | 1/20 | 0.54 |
| ▸ | PGR | P06401 | 1/20 | 0.49 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.49 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.49 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | SYK | P43405 | 2/20 | 0.45 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.45 |
| ▸ | INCENP | Q9NQS7 | 1/20 | 0.45 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 3/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 3/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | PTPRA | P18433 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL533732 | 0.89 | SMN1; SMN2 (0.59) | NPC1RAB9ASMN1; SMN2LMNAPGR | |
| Hydrochloric Acid SCHEMBL27540845 | 0.88 | SMN1; SMN2 (0.58) | NPC1RAB9ASMN1; SMN2LMNAPGR | |
| Pyridine SCHEMBL27796794 | 0.86 | NPC1 (0.57) | NPC1RAB9ASMN1; SMN2LMNAPGR | |
| Trifluoroacetic Acid SCHEMBL27893064 | 0.80 | CYP1A2 (0.48) | RAB9ASMN1; SMN2ALDH1A1TSHRCYP1A2 | |
| Trifluoroacetic Acid SCHEMBL9571825 | 0.80 | CYP1A2 (0.48) | RAB9ASMN1; SMN2ALDH1A1TSHRCYP1A2 | |
| E1501 SCHEMBL30955067 | 0.78 | ALDH1A1 (0.79) | NPC1RAB9ALMNASLC6A2ALDH1A1 | |
| SCHEMBL11377704 | 0.77 | SMN1; SMN2 (0.66) | NPC1RAB9ASMN1; SMN2LMNAPGR | |
| Trifluoroacetic Acid SCHEMBL29880646 | 0.76 | PTPRA (0.47) | NPC1RAB9ASMN1; SMN2TSHRCYP1A2 | |
| Trifluoroacetic Acid SCHEMBL20479965 | 0.76 | PTPRA (0.47) | NPC1RAB9ASMN1; SMN2TSHRCYP1A2 | |
| Trifluoroacetic Acid SCHEMBL27542700 | 0.76 | RAB9A (0.51) | NPC1RAB9ASMN1; SMN2TSHRCYP1A2 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105198804-A | Chemical compounds used as HIV integrase inhibitors | SHIONOGI & CO | 2015-12-30 | — | — | CN | disclosed |
| CN-103951643-B | As the compound of hiv integrase inhibitor | SHIONOGI & CO., LTD. (JP) | 2015-12-09 | — | — | CN | disclosed |
| CN-102149385-B | Compound (I) | SHIONOGI & CO | 2015-04-01 | — | — | CN | disclosed |
| CN-103951643-A | Chemical compounds used as HIV integrase inhibitors | SHIONOGI & CO | 2014-07-30 | — | — | CN | disclosed |
| CN-102149385-A | Compound (I) | GLAXOSMITHKLINE LLC | 2011-08-10 | — | — | CN | disclosed |